[2,5-bis(oxidanylidene)-1-(4-propoxyphenyl)pyrrolidin-3-yl] N-(3,4-dimethylphenyl)-N'-ethyl-carbamimidothioate

Systemtic Name: [2,5-bis(oxidanylidene)-1-(4-propoxyphenyl)pyrrolidin-3-yl] N-(3,4-dimethylphenyl)-N'-ethyl-carbamimidothioate Openeye Name: 1-(3,4-dimethylphenyl)-2-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-3-ethyl-isothiourea CAS Name: N-(3,4-dimethylphenyl)-N'-ethylcarbamimidothioic acid [2,5-dioxo-1-(4-propoxyphenyl)-3-pyrrolidinyl] ester IUPAC Name: [2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl] N-(3,4-dimethylphenyl)-N'-ethylcarbamimidothioate Traditional Name: 2-[2,5-diketo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-1-(3,4-dimethylphenyl)-3-ethyl-isothiourea Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=NCC)NC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC(=NCC)NC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C24H29N3O3S/c1-5-13-30-20-11-9-19(10-12-20)27-22(28)15-21(23(27)29)31-24(25-6-2)26-18-8-7-16(3)17(4)14-18/h7-12,14,21H,5-6,13,15H2,1-4H3,(H,25,26)